2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C18H27N3O3 — CID 97477117

About 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97477117) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• PubChem CID: 97477117
• Molecular Formula: C18H27N3O3
• Molecular Weight: 333.43 g/mol
• Exact Mass: 333.21
• IUPAC Name: 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• SMILES: CN(C)CC(=O)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2
• InChI: InChI=1S/C18H27N3O3/c1-20(2)12-17(22)21-9-6-18(7-10-21)11-16(14-24-18)23-13-15-5-3-4-8-19-15/h3-5,8,16H,6-7,9-14H2,1-2H3/t16-/m1/s1
• InChIKey: RHDAOMFFUXAXJK-MRXNPFEDSA-N
• XLogP: 1.31
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.43
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 97477117) is 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is CN(C)CC(=O)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2.

What is the InChIKey of 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The InChIKey is RHDAOMFFUXAXJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)12-17(22)21-9-6-18(7-10-21)11-16(14-24-18)23-13-15-5-3-4-8-19-15/h3-5,8,16H,6-7,9-14H2,1-2H3/t16-/m1/s1.

What are the key properties of 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[(3R)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97477117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).